N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide

C19H23FN4O3 — CID 122697939

IUPACN-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C19H23FN4O3/c1-3-18(25)21-6-4-13-12-22-16-11-15(20)17(10-14(13)16)26-8-9-27-19-5-7-24(2)23-19/h5,7,10-12,22H,3-4,6,8-9H2,1-2H3,(H,21,25)
InChIKeySXPLDADWCVRZAS-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.57
Rot. Bonds9

About N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide

N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide (PubChem CID 122697939) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide
PubChem CID122697939
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C19H23FN4O3/c1-3-18(25)21-6-4-13-12-22-16-11-15(20)17(10-14(13)16)26-8-9-27-19-5-7-24(2)23-19/h5,7,10-12,22H,3-4,6,8-9H2,1-2H3,(H,21,25)
InChIKeySXPLDADWCVRZAS-UHFFFAOYSA-N
XLogP2.57
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-ethyl}-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
The IUPAC name of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide (CID 122697939) is N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide is CCC(=O)NCCc1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12.
What is the InChIKey of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
The InChIKey is SXPLDADWCVRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-18(25)21-6-4-13-12-22-16-11-15(20)17(10-14(13)16)26-8-9-27-19-5-7-24(2)23-19/h5,7,10-12,22H,3-4,6,8-9H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide has a molecular weight of 374.42 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide is sourced from PubChem (CID 122697939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).